Crystal structure and thermal properties of compound K2Zn3(P2O7)2

2008 ◽  
Vol 23 (4) ◽  
pp. 317-322 ◽  
Author(s):  
L. N. Ji ◽  
G. M. Cai ◽  
J. B. Li ◽  
J. Luo ◽  
J. K. Liang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Thermal Properties ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Heating Curve ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients

K2Zn3(P2O7)2 was synthesized by solid state reaction and its crystal structure was determined by ab initio method from powder X-ray diffraction (XRD) data. The title compound was determined to be orthorhombic with space group P212121, Z=4, and lattice parameters a=12.901(8) Å, b=10.102(6) Å, and c=9.958(1) Å. Values of lattice parameters from 303 to 573 K were measured by temperature-dependent XRD. Thermal expansion coefficients α0, lattice parameters, and cell volume at 0 K were determined to be α0(a)=1.62327×10−4/K, a0=12.855(4) Å, α0(b)=1.17921×10−4/K, b0=10.070(8) Å, α0(c)=2.62364×10−4/K, c0=9.880(4) Å, and α0(V)=6.599×10−2/K, V0=1278.967(0) Å3. The specific heat equation as a function of temperature was determined to be Cp=0.77115+0.00231T−1241.60027T−2−1.4133×10−6T2 (J/K g), for temperatures from 198 to 710 K. The melting point estimated from the μ-DTA heating curve is 795 °C.

The crystal structure and thermal expansion of the CCl4 adduct of Dianin's compound

1990 ◽  
Vol 68 (8) ◽  
pp. 1352-1356 ◽  
Author(s):  
Walter Abriel ◽  
André Du Bois ◽  
Marek Zakrzewski ◽  
Mary Anne White
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Guest Molecules ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients ◽  
Dianin's Compound

The crystal structure of the title compound has been determined by single crystal X-ray diffraction data collected at 293 K, and refined to a final Rw of 0.057. The crystals are rhombohedral, space group [Formula: see text], with a = 27.134(8) Å, c = 10.933(2) Å, and Z = 18. The mole ratio of Dianin's compound (4-p-hydroxyphenyl-2,2,4-trimethylchroman) to CCl4 is 6:1. The guest molecules are disordered. X-ray powder diffraction was carried out in the temperature range from 10 to 300 K. From this, the thermal expansion coefficients for the a- and c-axes and the volume have been determined. Keywords: thermal expansion, crystal structure, clathrate.

Structure and Thermal Expansion Behavior of Dy2-xGdxMo4O15 Solid Solution

2008 ◽  
Vol 368-372 ◽  
pp. 1665-1667
Author(s):  
M.M. Wu ◽  
X.L. Xiao ◽  
Y.Z. Cheng ◽  
J. Peng ◽  
D.F. Chen ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid Solution ◽  
Thermal Expansion ◽  
Monoclinic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Expansion Behavior ◽  
Expansion Coefficients ◽  
Cell Volumes

A new series of solid solutions Dy2-xGdxMo4O15 (x = 0.0-0.9) were prepared. These compounds all crystallize in monoclinic structure with space group P21/c. The lattice parameters a, b, c and unit cell volumes V increase almost linearly with increasing gadolinium content. The intrinsic thermal expansion coefficients of Dy2-xGdxMo4O15 (x = 0.0 and 0.25) were obtained in the temperature range of 25 to 500°C with high-temperature X-ray diffraction. The correlation between thermal expansion and crystal structure was discussed.

Crystal structure and thermal expansion of hexakis(phenylthio)benzene and its CBr4 clathrate

1995 ◽  
Vol 73 (4) ◽  
pp. 513-521 ◽  
Author(s):  
Darek Michalski ◽  
Mary Anne White ◽  
Pradip K. Bakshi ◽  
T. Stanley Cameron ◽  
Ian Swainson
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Neutron Powder Diffraction ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Temperature Range ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients

The crystal structures of hexakis(phenylthio)benzene (HPTB) and its CBr4 clathrate have been determined by single crystal X-ray diffraction data collected at T = 18 °C and refined to final Rw of 0.036 and 0.047, respectively. Pure HPTB is triclinic, space group [Formula: see text] (No. 2), with a = 9.589(2) Å, b = 10.256(1) Å, c = 10.645(2) Å, α = 68.42(1)°, β = 76.92(2)°, γ = 65.52(1)°, and Z = 1. The CBr4 clathrate of HPTB is rhombohedral, space group [Formula: see text] (No. 148), with a = 14.327(4) Å, b = 20.666(8) Å, and Z = 3. The host–guest mole ratio of HPTB–CBr4 is 1:2. Neutron powder diffraction was carried out on powders of both compounds in the temperature range 25 K < T < 295 K. Thermal expansion coefficients were determined for HPTB and HPTB–CBr4 over this temperature range. Keywords: thermal expansion, crystal structure, clathrate.

Thermal Expansion and Oxidation of Calcium Oxysulfides by Diffusion

2006 ◽  
Vol 258-260 ◽  
pp. 316-321 ◽  
Author(s):  
Evgeny N. Selivanov ◽  
R.I. Gulyaeva ◽  
V.M. Chumarev ◽  
N.I. Selmenskikh
Keyword(s):  
Thermal Expansion ◽  
Inert Atmosphere ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Limiting Stage ◽  
Reacting Mixtures ◽  
Iron And Zinc

The iron and zinc calcium oxysulfides Ca3Fe4S3O6, CaFeSO and CaZnSO are synthesized by reacting mixtures of CaO and FeS or of CaO and ZnS in an inert atmosphere. Their elemental compositions and lattice parameters are determined by X-ray microanalysis and X-ray diffraction. From the temperature-dependent lattice parameters of oxysulfides (measured up to 1170K) their thermal expansion coefficients are evaluated. Oxidation Ca3Fe4S3O6 and CaZnSO are studied by thermogravimetric analysis when air heated. Oxidation speed temperature coefficients showing that process limiting stage is diffusion are determined.

Properties and crystallization of Li2O–CaO–Al2O3–SiO2–TiO2glasses

1993 ◽  
Vol 8 (4) ◽  
pp. 890-898 ◽  
Author(s):  
Moo-Chin Wang ◽  
Min-Hsiung Hon
Keyword(s):  
Thermal Expansion ◽  
Thermal Properties ◽  
Diffraction Analysis ◽  
Crystalline Phase ◽  
Glass Ceramics ◽  
Weight Percent ◽  
X Ray Diffraction ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients

The addition of CaO to Li2O–Al2O3–SiO2–TiO2(LAST), forming the Li2O–CaO–Al2O3–SiO2–TiO2(LCAST) system, is used in the preparation of low themal expansion coefficient glass-ceramics. By a progressive weight percent substitution of CaO for SiO2, at constant ratios of concentration of Li2O, Al2O3, and TiO2, a number of properties of these glasses have been studied. The results indicated that these thermal properties increased progressively with increasing CaO concentration. X-ray diffraction analysis was utilized to identify the crystalline phase in glass-ceramics of the Li2O–CaO–Al2O3–SiO2-TiO2system. Thed-spacings of the major crystallites were precisely measured and fitted with those of β-spodumene. The minor crystalline phase of titanite, CaO · TiO2· SiO2, was also present. The average thermal expansion coefficients from 25 to 700 °C were 3.50 × 10−6/°C, 3.81 × 10−6/°C, and 3.91 × 10−6/°C for samples A, B, and C, respectively.

X-ray diffraction study of anisotropic thermal expansion in ZrMo2O8

1999 ◽  
Vol 32 (5) ◽  
pp. 1010-1011 ◽  
Author(s):  
R. Mittal ◽  
S. L. Chaplot ◽  
N. P. Lalla ◽  
R. K. Mishra
Keyword(s):  
Thermal Expansion ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray ◽  
Cell Parameters ◽  
Anisotropic Thermal Expansion ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients ◽  
Trigonal Phase

Temperature-dependent X-ray diffraction measurements are reported for ZrMo2O8in the trigonal phase from 80 to 925 K. The measurements reveal highly anisotropic thermal expansion coefficients with average values of −3.9 × 10−6and 52 × 10−6 K−1for theaandccell parameters, respectively.

scholarly journals An examination of the thermal expansion of urea using high-resolution variable-temperature X-ray powder diffraction

2005 ◽  
Vol 38 (6) ◽  
pp. 1038-1039 ◽  
Author(s):  
Robert Hammond ◽  
Klimentina Pencheva ◽  
Kevin J. Roberts ◽  
Patricia Mougin ◽  
Derek Wilkinson
Keyword(s):  
Thermal Expansion ◽  
High Resolution ◽  
Variable Temperature ◽  
X Ray Diffraction ◽  
Polymorphic Transformations ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Cell Dimensions ◽  
Expansion Coefficients ◽  
Unit Cell Dimensions

Variable-temperature high-resolution capillary-mode powder X-ray diffraction is used to assess changes in unit-cell dimensions as a function of temperature over the range 188–328 K. No evidence was found for any polymorphic transformations over this temperature range and thermal expansion coefficients for urea were found to be αa= (5.27 ± 0.26) × 10−5 K−1and αc= (1.14 ± 0.057) × 10−5 K−1.

A temperature-dependent structure study of gem-quality hibonite from Myanmar

2010 ◽  
Vol 74 (5) ◽  
pp. 871-885 ◽  
Author(s):  
M. Nagashima ◽  
T. Armbruster ◽  
T. Hainschwang
Keyword(s):  
Room Temperature ◽  
Structure Study ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Trigonal Bipyramidal ◽  
Expansion Coefficients ◽  
Increasing Temperature ◽  
Length Distortion

AbstractThe structure of hibonite from Myanmar (space group P63/mmc, Z = 2, at room temperature a = 5.5909(1), c = 21.9893(4) Å), with simplified formula CaAl12O19 and composition (Ca0.99Na0.01)Σ1.00 was investigated between temperatures of 100 K and 923 K by single-crystal X-ray diffraction methods. Structure refinements have been performed at 100, 296, 473 and 923 K. In hibonite from Myanmar, Ti substitutes for Al mainly at the octahedral Al4 site and, to a lesser degree, at the trigonal bipyramidal site, Al2. The Al4 octahedra build face-sharing dimers. If Ti4+ substitutes at Al4, adjacent cations repulse each other for electrostatic reasons, leading to off-centre cation displacement associated with significant bond-length distortion compared to synthetic (Ti-free) CaAl12O19. Most Mg and smaller proportions of Zn and Si are assigned to the tetrahedral Al3 site. 12-coordinated Ca in hibonite replaces oxygen in a closest-packed layer. However, Ca is actually too small for this site and engages in a ‘rattling-type’ motion with increasing temperature. For this reason, Ca does not significantly increase thermal expansion coefficients of hibonite. The expansion of natural Ti,Mg-rich hibonite between 296 and 923 K along the x and the z axes is αa = 7.64×10–6 K–1 and αc = 11.19×10–6 K–1, respectively, and is thus very similar to isotypic, synthetic CaAl12O19 and LaMgAl11O19 (LMA).

Behaviors of the Zr–1.0Sn–0.39Nb–0.31Fe–0.05Cr Alloy at High Temperature

2011 ◽  
Vol 399-401 ◽  
pp. 80-84
Author(s):  
Yi Yuan Tang ◽  
Jie Li Meng ◽  
Kai Lian Huang ◽  
Jian Lie Liang
Keyword(s):  
Thermal Expansion ◽  
Phase Transformation ◽  
High Temperature ◽  
Oxide Film ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
Thin Oxide Film ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients

Phase transformation of the Zr-1.0Sn-0.39Nb-0.31Fe-0.05Cr alloy was investigated by high temperature X-ray diffraction (XRD). The XRD results revealed that the alloy contained two precipitates at room temperature, namely β-Nb and hexagonal Zr(Nb,Fe,Cr,)2. β-Nb was suggested to dissolve into the α-Zr matrix at the 580oC. Thin oxide film formed at the alloy’s surface was identified as mixture of the monoclinic Zr0.93O2and tetragonal ZrO2, when the temperature reached to 750oC and 850 oC. The thermal expansion coefficients of αZr in this alloy was of αa = 8.39×10-6/°C, αc = 2.48×10-6/°C.

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